相关论文: Semiconductor dielectric function, excitons and th…
We study the dielectric function of the homogeneous hole gas in p-doped zinc-blende III-V bulk semiconductors within random phase approximation with the valence band being modeled by Luttinger's Hamiltonian in the spherical approximation.…
Based on a recent exchange--correlation kernel developed within Time--Dependent--Density--Functional Theory we derive a practical and general expression for the three--point vertex function. We show that excitonic effects in LiF strongly…
The acoustic excitations of the expanded metal solutions Li-NH$_3$ have been measured by inelastic X-ray scattering as a function of the electron density by changing the Li concentration. The dielectric functions of these model metals with…
Using the quasiparticle self-consistent GW (QSGW) and local-density (LD) approximations, we calculate the q-dependent static dielectric function, and derive an effective 2D dielectric function corresponding to screening of point charges. In…
A generalized Sellmeier model, also referred to as the Lorentz-Dirac model, has been used for the description of the dielectric function of a number of technologically important materials in the literature. This model represents the…
Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional…
The optical dielectric function of ZnGeN$_2$ is calculated from the interband transitions using the energy bands calculated in the quasiparticle self-consistent (QS)$G\hat W$ method using two different levels of approximation: the…
A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of…
We have employed our recently developed Green's function formalism to study the dielectric behavior of a model membrane, formed by two periodic interfaces separating two media of different dielectric constants. The Maxwell's equations are…
An eikonal expansion is developed in order to provide systematic corrections to the eikonal approximation through order 1/k^2, where k is the wave number. The expansion is applied to wave functions for the Klein-Gordon equation and for the…
The complex dielectric functions of LiNbO$_2$ were determined using optical transmittance and reflectance spectroscopies at room temperature. The measured dielectric function spectra reveal distinct structures at several bandgap energies.…
The quasiclassical Green functions of the Dirac and Klein-Gordon equations in the external electric field are obtained with the first correction taken into account. The relevant potential is assumed to be localized, while its spherical…
The band structure of (ZnxCd1-x)3P2 alloy system is considered within the framework of Kildal's band model. Frequency dependencies of real and imaginary parts of dielectric function were received and analyzed in terms of direct band to band…
The strong-interaction functionals $W_\infty[n]$ and ${W'}_\infty[n]$ play an important role in the adiabatic-connection method of Density Functional Theory. The strictly-correlated electron approach can be used to exactly compute these…
The present review includes the description of theoretical methods for the investigations of the spectra of hydrogen-like systems. Various versions of the quasipotential approach and the method of the effective Dirac equation are…
Recent first-principles electron-phonon scattering calculations of heavily-doped semiconductors suggest that a simple DOS scattering model, wherein the electronic scattering rates are assumed to be proportional to the density-of-states,…
In a recent series of scanning probe experiments, it became possible to visualize local electron flow in a two-dimensional electron gas. In this paper, a Green's function technique is presented that enables efficient calculation of the…
Dielectric interfaces are crucial to the behavior of charged membranes, from graphene to synthetic and biological lipid bilayers. Understanding electrolyte behavior near these interfaces remains a challenge, especially in the case of rough…
The derivative discontinuity of the exchange-correlation functional of density-functional theory is cast as the difference of two types of electron affinities. We show that standard Kohn-Sham calculations can be used to calculate both…
Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy density functional (KEDF), which should be accurate and must…